7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine

C15H17N7O — CID 127027695

IUPAC7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(-c3cn[nH]c3)nc3c2COC3(C)C)n[nH]1
InChIInChI=1S/C15H17N7O/c1-8-4-11(22-21-8)18-14-10-7-23-15(2,3)12(10)19-13(20-14)9-5-16-17-6-9/h4-6H,7H2,1-3H3,(H,16,17)(H2,18,19,20,21,22)
InChIKeyLJBBRTULKIXLKU-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.41
Rot. Bonds3

About 7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine

7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine (PubChem CID 127027695) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
PubChem CID127027695
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(-c3cn[nH]c3)nc3c2COC3(C)C)n[nH]1
InChIInChI=1S/C15H17N7O/c1-8-4-11(22-21-8)18-14-10-7-23-15(2,3)12(10)19-13(20-14)9-5-16-17-6-9/h4-6H,7H2,1-3H3,(H,16,17)(H2,18,19,20,21,22)
InChIKeyLJBBRTULKIXLKU-UHFFFAOYSA-N
XLogP2.41
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine (CID 127027695) is 7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine is Cc1cc(Nc2nc(-c3cn[nH]c3)nc3c2COC3(C)C)n[nH]1.
What is the InChIKey of 7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The InChIKey is LJBBRTULKIXLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-8-4-11(22-21-8)18-14-10-7-23-15(2,3)12(10)19-13(20-14)9-5-16-17-6-9/h4-6H,7H2,1-3H3,(H,16,17)(H2,18,19,20,21,22).
What are the key properties of 7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine has a molecular weight of 311.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 127027695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).